2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine

C16H21FN2O — CID 163679548

IUPAC2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine
SMILESCCCCc1cc2ccc(OC/C(=C/F)CC)cn2n1
InChIInChI=1S/C16H21FN2O/c1-3-5-6-14-9-15-7-8-16(11-19(15)18-14)20-12-13(4-2)10-17/h7-11H,3-6,12H2,1-2H3/b13-10+
InChIKeySLYXOCHTATYWDM-JLHYYAGUSA-N
MW276.35 g/mol
LogP4.32
Rot. Bonds7

About 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine

2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 163679548) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine
PubChem CID163679548
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine
SMILESCCCCc1cc2ccc(OC/C(=C/F)CC)cn2n1
InChIInChI=1S/C16H21FN2O/c1-3-5-6-14-9-15-7-8-16(11-19(15)18-14)20-12-13(4-2)10-17/h7-11H,3-6,12H2,1-2H3/b13-10+
InChIKeySLYXOCHTATYWDM-JLHYYAGUSA-N
XLogP4.32
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine (CID 163679548) is 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine is CCCCc1cc2ccc(OC/C(=C/F)CC)cn2n1.
What is the InChIKey of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is SLYXOCHTATYWDM-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-5-6-14-9-15-7-8-16(11-19(15)18-14)20-12-13(4-2)10-17/h7-11H,3-6,12H2,1-2H3/b13-10+.
What are the key properties of 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine?
2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 276.35 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 163679548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).